2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C15H27N3O3 — CID 114505271

IUPAC2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1CN(C)CCC1NC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-10-9-18(3)8-6-11(10)16-14(21)17-12-5-4-7-15(12,2)13(19)20/h10-12H,4-9H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyCNEJMLXUKXHWAX-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.27
Rot. Bonds3

About 2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 114505271) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID114505271
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1CN(C)CCC1NC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-10-9-18(3)8-6-11(10)16-14(21)17-12-5-4-7-15(12,2)13(19)20/h10-12H,4-9H2,1-3H3,(H,19,20)(H2,16,17,21)
InChIKeyCNEJMLXUKXHWAX-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114505373
2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 114549013
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 105419635
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
N-(1,3-dimethylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 115598650
2-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765853
2-(1-aminocyclopentyl)-N-(1,3-dimethylpiperidin-4-yl)acetamide
CID 114503698
2-(2-acetamidoethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762512
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765389
1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82766003
2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765070
cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124575960

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 114505271) is 2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is CC1CN(C)CCC1NC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is CNEJMLXUKXHWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10-9-18(3)8-6-11(10)16-14(21)17-12-5-4-7-15(12,2)13(19)20/h10-12H,4-9H2,1-3H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114505271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).